SCHEMBL21392040

SCHEMBL21392040

COc1cccc2c1c(CCC(=O)O)c(C)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.50
MAPT P10636 4/20 0.45
TP53 P04637 1/20 0.45
EGFR P00533 2/20 0.44
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
RECQL P46063 2/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
BLM P54132 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19872661 0.82 PLA2G2A (0.47) PLA2G2AMAPTEGFRALDH1A1GAA
SCHEMBL21392131 0.81 GPR17 (0.48) PLA2G2AEGFRALDH1A1GAAHDAC6
SCHEMBL21395993 0.81 GPR17 (0.48) PLA2G2AEGFRALDH1A1GAAHDAC6
SCHEMBL18509302 0.81 EGFR (0.46) PLA2G2AEGFRMEN1KMT2AALDH1A1
SCHEMBL18509969 0.81 EGFR (0.46) PLA2G2AEGFRALDH1A1GAAHDAC6
SCHEMBL23777835 0.81 MAPT (0.44) PLA2G2AMAPTMEN1POLBKMT2A
SCHEMBL18509551 0.79 ABCB1 (0.48) MAPTTP53EGFRMEN1POLB
SCHEMBL18509495 0.79 EGFR (0.47) PLA2G2AEGFRALDH1A1GAAHDAC6
SCHEMBL19872668 0.79 EGFR (0.44) PLA2G2AEGFRALDH1A1KDM4EHPGD
SCHEMBL18029282 0.79 PLA2G2A (0.47) PLA2G2AMAPTMEN1POLBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 US disclosed
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 US disclosed
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 WO disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 PLA2G2A 1590/4885MAPT 3914/4885TP53 535/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 PLA2G2A 1590/4885MAPT 3914/4885TP53 535/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.